1.02010-04-08 22:13:26 UTC2019-11-26 03:15:31 UTCFDB017993Octyl acetatePresent in citrus peel oils, wheat bread, cheddar cheese, wines, banana, sour cherry and other foodstuffs. Flavour ingredient
Octyl acetate, or octyl ethanoate, is an ester that is formed from octanol (octyl alcohol) and acetic acid. It is the basis for artificial orange flavoring. Octyl acetate is found in many foods, some of which are alcoholic beverages, milk and milk products, lemon, and fruits.1-Octanol acetate1-Octyl acetate2-Ethylhexyl acetateAcetate C-8Acetic acid n-octyl esterAcetic acid octyl esterAcetic acid, octyl esterCaprylyl acetateFEMA 2806N-octanyl acetateN-octyl acetateN-octyl ethanoateOctanol acetateOctyl acetateOctyl acetate (van)Octyl acetate, normalOctyl alcohol acetateOctyl ethanoateC10H20O2172.2646172.146329884octyl acetateoctyl acetate112-14-1CCCCCCCCOC(C)=OInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3YLYBTZIQSIBWLI-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.Fatty alcohol estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcohol estersAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty alcohol esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundWax monoestersacetate esterLiquidlogp4.12logs-3.65solubility3.87e-02 g/lmelting_point-38.5 oClogp3.02pka_strongest_basic-7iupacoctyl acetateaverage_mass172.2646mono_mass172.146329884smilesCCCCCCCCOC(C)=OformulaC10H20O2inchiInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3inchikeyYLYBTZIQSIBWLI-UHFFFAOYSA-Npolar_surface_area26.3refractivity49.69polarizability21.67rotatable_bond_count8acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7976Specdb::MsIr7977Specdb::NmrOneD256968Specdb::NmrOneD256969Specdb::NmrOneD256970Specdb::NmrOneD256971Specdb::NmrOneD256972Specdb::NmrOneD256973Specdb::NmrOneD256974Specdb::NmrOneD256975Specdb::NmrOneD256976Specdb::NmrOneD256977Specdb::NmrOneD256978Specdb::NmrOneD256979Specdb::NmrOneD256980Specdb::NmrOneD256981Specdb::NmrOneD256982Specdb::NmrOneD256983Specdb::NmrOneD256984Specdb::NmrOneD256985Specdb::NmrOneD256986Specdb::NmrOneD256987Specdb::CMs2634Specdb::CMs26988Specdb::CMs27052Specdb::CMs27830Specdb::CMs27844Specdb::CMs28456Specdb::CMs101975Specdb::CMs101976Specdb::CMs101977Specdb::CMs101978Specdb::CMs101979Specdb::CMs167491Specdb::MsMs102228Specdb::MsMs102229Specdb::MsMs102230Specdb::MsMs168003Specdb::MsMs168004Specdb::MsMs168005Specdb::MsMs2442799Specdb::MsMs2442800Specdb::MsMs2442801Specdb::MsMs2519538Specdb::MsMs2519539Specdb::MsMs2519540HMDB38602#<Reference:0x00005556758b94a0>Alcoholic beveragesUnknowngenericAsian pearType 1specificPyrus pyrifolia3767BlackberryType 1specificRubusBreakfast cerealType 2specificCereals and cereal productsUnknowngenericCitrusUnknowngenericEvergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGuavaType 1specificPsidium guajava120290LemonType 1specificCitrus limon2708Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.30.30.3mg/100 gMilk and milk productsUnknowngenericMuskmelonType 1specificCucumis melo3656PearType 1specificPyrus communis23211Sweet orangeType 1specificCitrus sinensis27111.01.01.0mg/100 gearthygreenherbalmushroomwaxy